N-hydroxy-1-[(6-methoxy-3-pyridinyl)methyl]indole-6-carboxamide

C16H15N3O3 — CID 45276554

IUPACN-hydroxy-1-[(6-methoxy-3-pyridinyl)methyl]indole-6-carboxamide
SMILESCOc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cn1
InChIInChI=1S/C16H15N3O3/c1-22-15-5-2-11(9-17-15)10-19-7-6-12-3-4-13(8-14(12)19)16(20)18-21/h2-9,21H,10H2,1H3,(H,18,20)
InChIKeyQBSWUYFWSGBNSI-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.21
Rot. Bonds4

About N-hydroxy-1-[(6-methoxy-3-pyridinyl)methyl]indole-6-carboxamide

N-hydroxy-1-[(6-methoxy-3-pyridinyl)methyl]indole-6-carboxamide (PubChem CID 45276554) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-hydroxy-1-[(6-methoxy-3-pyridinyl)methyl]indole-6-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1-[(6-methoxy-3-pyridinyl)methyl]indole-6-carboxamide
PubChem CID45276554
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC NameN-hydroxy-1-[(6-methoxy-3-pyridinyl)methyl]indole-6-carboxamide
SMILESCOc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cn1
InChIInChI=1S/C16H15N3O3/c1-22-15-5-2-11(9-17-15)10-19-7-6-12-3-4-13(8-14(12)19)16(20)18-21/h2-9,21H,10H2,1H3,(H,18,20)
InChIKeyQBSWUYFWSGBNSI-UHFFFAOYSA-N
XLogP2.21
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1-[(6-methoxy-3-pyridinyl)methyl]indole-6-carboxamide?
The IUPAC name of N-hydroxy-1-[(6-methoxy-3-pyridinyl)methyl]indole-6-carboxamide (CID 45276554) is N-hydroxy-1-[(6-methoxy-3-pyridinyl)methyl]indole-6-carboxamide.
What is the SMILES notation for N-hydroxy-1-[(6-methoxy-3-pyridinyl)methyl]indole-6-carboxamide?
The canonical SMILES for N-hydroxy-1-[(6-methoxy-3-pyridinyl)methyl]indole-6-carboxamide is COc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cn1.
What is the InChIKey of N-hydroxy-1-[(6-methoxy-3-pyridinyl)methyl]indole-6-carboxamide?
The InChIKey is QBSWUYFWSGBNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-22-15-5-2-11(9-17-15)10-19-7-6-12-3-4-13(8-14(12)19)16(20)18-21/h2-9,21H,10H2,1H3,(H,18,20).
What are the key properties of N-hydroxy-1-[(6-methoxy-3-pyridinyl)methyl]indole-6-carboxamide?
N-hydroxy-1-[(6-methoxy-3-pyridinyl)methyl]indole-6-carboxamide has a molecular weight of 297.31 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-[(6-methoxy-3-pyridinyl)methyl]indole-6-carboxamide is sourced from PubChem (CID 45276554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).